==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 02-NOV-07 2ZC4 . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2X; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.YAMADA,T.WATANABE,Y.TAKEUCHI . 1265 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 96 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 3 1 3 2 1 3 5 5 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 18 8 7 5 2 3 0 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 3 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 74 A A 0 0 75 0, 0.0 2,-0.6 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 140.2 42.6 -17.1 -0.8 2 75 A K - 0 0 109 155,-0.1 162,-2.4 153,-0.1 2,-0.2 -0.755 360.0-130.8 -90.2 121.2 44.1 -14.7 1.8 3 76 A R - 0 0 8 -2,-0.6 14,-0.4 160,-0.1 152,-0.2 -0.505 34.5-106.5 -65.7 134.8 41.6 -12.9 4.1 4 77 A G - 0 0 1 150,-3.7 2,-0.5 161,-0.2 162,-0.2 0.067 35.6-103.9 -54.4 172.0 42.4 -9.2 4.2 5 78 A T - 0 0 3 159,-0.2 162,-2.0 11,-0.1 2,-0.8 -0.904 15.7-143.6-109.5 128.4 44.0 -7.6 7.2 6 79 A I E -Ab 15 167A 0 9,-2.3 8,-3.2 -2,-0.5 9,-2.3 -0.803 34.4-179.4 -85.2 110.5 42.1 -5.5 9.8 7 80 A Y E -Ab 13 168A 44 160,-3.0 162,-2.1 -2,-0.8 164,-0.2 -0.566 28.6-113.9-103.1 168.5 44.6 -2.8 10.7 8 81 A D > - 0 0 0 4,-3.0 3,-1.9 -2,-0.2 164,-0.2 -0.447 52.2 -85.1 -86.3 175.1 44.6 0.1 13.1 9 82 A R T 3 S+ 0 0 22 162,-3.0 163,-0.1 1,-0.3 159,-0.1 0.728 130.5 49.1 -55.5 -24.6 44.7 3.6 11.7 10 83 A N T 3 S- 0 0 87 161,-0.3 -1,-0.3 2,-0.1 162,-0.1 0.034 123.3 -97.9-105.7 22.8 48.5 3.5 11.5 11 84 A G S < S+ 0 0 22 -3,-1.9 -2,-0.1 1,-0.3 517,-0.0 0.547 74.8 145.4 69.5 7.0 48.9 0.1 9.8 12 85 A V - 0 0 57 1,-0.1 -4,-3.0 2,-0.0 -1,-0.3 -0.668 55.3-118.2 -68.2 126.6 49.5 -1.8 13.1 13 86 A P E +A 7 0A 38 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.494 39.9 170.8 -75.7 141.3 47.7 -5.1 12.4 14 87 A I E S+ 0 0 2 -8,-3.2 103,-0.4 1,-0.3 2,-0.4 0.710 75.5 20.9-110.4 -46.3 44.8 -6.2 14.5 15 88 A A E S+A 6 0A 0 -9,-2.3 -9,-2.3 100,-0.2 2,-0.3 -0.962 76.8 155.7-131.7 116.1 43.4 -9.2 12.7 16 89 A E E -F 114 0B 67 98,-2.3 98,-3.5 -2,-0.4 2,-0.1 -0.968 41.1 -99.1-140.9 151.9 45.7 -11.1 10.3 17 90 A D E +F 113 0B 40 -14,-0.4 2,-0.2 -2,-0.3 96,-0.2 -0.395 41.5 165.6 -71.8 143.3 46.1 -14.6 8.8 18 91 A A E -F 112 0B 43 94,-2.6 94,-1.6 -2,-0.1 2,-0.5 -0.749 37.4 -90.8-138.2-169.7 48.5 -17.2 10.2 19 92 A T E -F 111 0B 79 -2,-0.2 68,-0.5 92,-0.2 2,-0.3 -0.942 34.4-177.3-116.7 127.5 49.0 -20.9 9.8 20 93 A S E -F 110 0B 3 90,-3.2 90,-3.5 -2,-0.5 2,-0.3 -0.858 16.4-135.9-117.2 159.6 47.5 -23.6 12.0 21 94 A Y E -FG 109 85B 33 64,-3.0 64,-3.4 -2,-0.3 2,-0.5 -0.866 6.6-153.7-124.8 149.4 48.1 -27.3 11.9 22 95 A N E -F 108 0B 15 86,-2.5 86,-2.3 -2,-0.3 61,-0.2 -0.970 21.1-137.1-124.8 115.8 45.9 -30.5 12.1 23 96 A V E +F 107 0B 3 59,-1.8 55,-0.5 -2,-0.5 2,-0.3 -0.292 24.9 171.3 -70.8 149.0 47.5 -33.8 13.3 24 97 A Y E -FH 106 77B 57 82,-2.0 82,-1.7 53,-0.2 2,-0.4 -0.970 20.4-140.2-149.7 158.0 46.9 -37.2 11.7 25 98 A A E -FH 105 76B 0 51,-3.3 51,-3.1 -2,-0.3 2,-0.7 -0.979 6.7-144.6-123.7 133.9 48.4 -40.7 12.2 26 99 A V E + H 0 75B 21 78,-1.9 15,-2.8 -2,-0.4 49,-0.2 -0.872 25.2 166.3 -93.9 115.0 49.3 -43.2 9.5 27 100 A I + 0 0 23 47,-1.4 48,-0.2 -2,-0.7 -1,-0.1 0.442 28.1 132.2-107.5 -2.9 48.6 -46.7 10.9 28 101 A D > - 0 0 32 46,-1.8 3,-0.8 1,-0.2 11,-0.1 -0.309 49.1-151.5 -54.6 119.4 48.8 -48.5 7.5 29 102 A E T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -2,-0.1 10,-0.1 0.708 91.6 60.1 -71.0 -21.2 51.0 -51.5 8.1 30 103 A N T 3 S+ 0 0 140 1,-0.1 2,-0.7 9,-0.1 -1,-0.3 -0.208 74.4 115.1 -98.7 39.3 52.1 -51.5 4.4 31 104 A Y < + 0 0 127 -3,-0.8 8,-1.7 -4,-0.1 2,-0.3 -0.835 37.0 139.5-115.0 93.0 53.6 -48.0 4.5 32 105 A K B -I 38 0C 111 -2,-0.7 6,-0.2 6,-0.2 -2,-0.0 -0.916 46.9-116.5-130.1 154.1 57.4 -48.2 4.0 33 106 A S - 0 0 47 4,-0.9 3,-0.3 -2,-0.3 -1,-0.1 0.129 49.4 -83.3 -70.2-166.9 59.9 -46.2 2.0 34 107 A A S S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.820 134.6 56.5 -69.1 -31.9 62.0 -47.5 -0.9 35 108 A T S S- 0 0 123 1,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.701 119.8-114.1 -63.3 -23.9 64.4 -48.9 1.7 36 109 A G + 0 0 45 -3,-0.3 -2,-0.1 1,-0.2 3,-0.1 0.600 64.2 161.2 85.9 18.1 61.4 -50.8 3.2 37 110 A K - 0 0 99 1,-0.1 -4,-0.9 2,-0.0 2,-0.6 -0.245 49.8 -86.0 -73.2 160.6 61.9 -48.6 6.2 38 111 A I B +I 32 0C 57 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.533 51.9 159.5 -73.9 110.7 59.2 -48.1 8.9 39 112 A L + 0 0 70 -8,-1.7 2,-0.3 -2,-0.6 -1,-0.1 -0.101 51.9 70.7-122.6 36.8 56.9 -45.2 7.9 40 113 A Y S S- 0 0 29 -13,-0.1 2,-0.6 63,-0.1 63,-0.4 -0.948 88.8 -89.3-148.5 160.1 53.9 -45.9 10.1 41 114 A V - 0 0 4 -15,-2.8 2,-0.3 -2,-0.3 63,-0.1 -0.661 42.8-142.5 -79.5 118.9 52.8 -45.8 13.8 42 115 A E >> - 0 0 69 -2,-0.6 3,-3.2 61,-0.2 4,-0.5 -0.654 17.3-123.0 -84.5 137.8 53.6 -49.2 15.4 43 116 A K T 34 S+ 0 0 150 -2,-0.3 3,-0.5 1,-0.3 4,-0.2 0.703 111.4 66.7 -47.4 -24.8 51.2 -50.6 18.0 44 117 A T T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.503 102.9 45.4 -77.0 -5.3 54.1 -50.6 20.4 45 118 A Q T X> S+ 0 0 29 -3,-3.2 4,-1.9 2,-0.1 3,-1.0 0.457 76.5 104.3-117.4 -6.8 54.2 -46.8 20.4 46 119 A F H 3X S+ 0 0 21 -4,-0.5 4,-1.1 -3,-0.5 -2,-0.1 0.726 84.1 50.5 -48.2 -29.4 50.5 -46.0 20.8 47 120 A N H 3> S+ 0 0 87 2,-0.2 4,-2.0 -4,-0.2 -1,-0.3 0.790 105.8 52.1 -83.8 -31.9 51.1 -45.1 24.4 48 121 A K H <> S+ 0 0 67 -3,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.803 108.7 53.2 -73.0 -29.8 54.0 -42.7 23.8 49 122 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.906 106.9 52.9 -66.3 -43.1 51.7 -40.9 21.3 50 123 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 -2,-0.2 0.936 105.4 53.8 -55.5 -52.0 49.1 -40.6 24.0 51 124 A E H X S+ 0 0 105 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.891 114.1 40.1 -49.4 -51.1 51.6 -39.0 26.5 52 125 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 5,-0.4 0.942 113.8 51.6 -69.7 -50.8 52.6 -36.2 24.0 53 126 A F H X S+ 0 0 0 -4,-2.5 6,-1.6 1,-0.2 4,-1.2 0.837 112.0 50.7 -52.4 -36.3 49.0 -35.6 22.7 54 127 A H H X S+ 0 0 96 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.909 113.3 44.5 -64.9 -43.8 48.0 -35.3 26.3 55 128 A K H < S+ 0 0 150 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.840 126.9 23.1 -76.1 -36.3 50.7 -32.8 27.1 56 129 A Y H < S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.1 -3,-0.2 0.539 130.8 36.6-111.6 -12.5 50.5 -30.4 24.2 57 130 A L H < S- 0 0 20 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.1 0.449 96.7-122.8-119.2 -4.5 47.0 -30.9 22.9 58 131 A D < + 0 0 115 -4,-0.8 2,-0.3 1,-0.2 -4,-0.2 0.869 55.3 169.6 59.0 39.5 45.1 -31.3 26.1 59 132 A M - 0 0 5 -6,-1.6 2,-0.5 -9,-0.1 -1,-0.2 -0.624 45.1-110.5 -90.1 140.9 43.9 -34.7 24.7 60 133 A E >> - 0 0 125 -2,-0.3 4,-1.4 1,-0.1 3,-0.7 -0.559 30.0-142.7 -60.7 114.2 42.1 -37.4 26.5 61 134 A E H 3> S+ 0 0 54 -2,-0.5 4,-1.4 1,-0.2 3,-0.3 0.865 97.3 49.8 -55.0 -45.0 44.8 -40.2 26.7 62 135 A S H 3> S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.762 105.5 59.2 -66.4 -27.5 42.4 -43.1 26.2 63 136 A Y H <> S+ 0 0 80 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.846 100.4 56.6 -67.1 -38.5 40.9 -41.3 23.1 64 137 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.970 112.1 41.8 -53.3 -56.5 44.4 -41.3 21.5 65 138 A R H X S+ 0 0 91 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.931 113.0 51.3 -57.8 -52.9 44.5 -45.1 21.8 66 139 A E H < S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.5 44.5 -59.3 -38.5 40.9 -45.8 20.8 67 140 A Q H >< S+ 0 0 49 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.892 114.9 48.9 -70.8 -42.5 41.2 -43.7 17.6 68 141 A L H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.763 106.3 59.3 -64.1 -29.1 44.7 -45.2 16.8 69 142 A S T 3< S+ 0 0 75 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.076 76.8 132.3-100.0 32.9 43.4 -48.8 17.3 70 143 A Q < - 0 0 69 -3,-0.8 3,-0.5 -5,-0.1 2,-0.1 -0.564 51.6-124.7 -85.9 147.7 40.6 -48.8 14.7 71 144 A P S S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.417 85.4 19.5 -79.5 163.8 40.1 -51.6 12.1 72 145 A N S S+ 0 0 176 1,-0.1 2,-0.4 -2,-0.1 -2,-0.0 0.732 94.4 119.1 50.1 33.6 39.9 -51.0 8.3 73 146 A L - 0 0 78 -3,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.988 45.0-171.6-135.2 130.1 41.7 -47.7 8.3 74 147 A K S S+ 0 0 150 -2,-0.4 -46,-1.8 1,-0.2 -47,-1.4 0.747 82.9 18.8 -86.5 -27.9 44.9 -46.6 6.7 75 148 A Q E -H 26 0B 120 -49,-0.2 2,-0.4 -48,-0.2 -1,-0.2 -0.997 66.9-160.8-144.6 150.1 45.0 -43.2 8.5 76 149 A V E -H 25 0B 5 -51,-3.1 -51,-3.3 -2,-0.3 2,-0.2 -0.974 1.9-160.4-131.8 141.0 43.4 -41.7 11.6 77 150 A S E -H 24 0B 72 -2,-0.4 -53,-0.2 -53,-0.2 -55,-0.0 -0.595 21.1-126.3-109.5 179.4 42.7 -38.2 12.9 78 151 A F - 0 0 2 -55,-0.5 3,-0.3 1,-0.3 4,-0.2 -0.237 37.7-111.6-132.5 46.4 41.9 -37.1 16.4 79 152 A G > - 0 0 31 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 -0.114 69.9 -24.7 67.2-156.8 38.8 -35.0 16.7 80 153 A A G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.846 133.4 53.4 -63.0 -41.4 38.4 -31.3 17.6 81 154 A K G 3 S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.480 98.3 67.5 -77.9 -2.6 41.6 -30.9 19.6 82 155 A G G < S+ 0 0 0 -3,-1.1 -59,-1.8 -4,-0.2 3,-0.3 0.553 93.0 75.5 -87.3 -11.7 43.6 -32.3 16.6 83 156 A N S < S+ 0 0 88 -3,-1.4 -61,-0.2 -4,-0.3 -62,-0.1 -0.736 91.4 17.8-104.1 150.6 42.7 -29.2 14.5 84 157 A G S S+ 0 0 36 -2,-0.3 -62,-0.2 1,-0.2 -1,-0.2 0.811 74.6 170.0 66.0 34.2 44.1 -25.7 14.6 85 158 A I B -G 21 0B 9 -64,-3.4 -64,-3.0 -3,-0.3 -1,-0.2 -0.492 32.6-115.4 -73.7 145.0 47.3 -26.5 16.5 86 159 A T >> - 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0 0 25 -4,-3.7 4,-1.9 -5,-0.1 3,-0.5 0.392 26.7 -81.8 76.7 143.7 6.4 22.1 25.6 315 409 B D H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.772 120.9 59.2 -45.9 -46.6 6.2 18.5 24.3 316 410 B A H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 111.8 38.7 -52.8 -56.9 5.8 19.2 20.6 317 411 B T H > S+ 0 0 47 -4,-0.5 4,-2.0 -3,-0.5 -1,-0.2 0.888 114.7 54.3 -62.9 -43.2 9.1 21.2 20.3 318 412 B W H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.928 109.2 47.6 -58.4 -47.1 11.0 18.8 22.6 319 413 B L H X S+ 0 0 37 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.868 107.7 57.4 -59.4 -38.4 10.0 15.8 20.6 320 414 B D H X S+ 0 0 34 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.897 105.7 49.6 -60.5 -41.8 11.0 17.7 17.5 321 415 B Y H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.894 106.1 55.3 -64.2 -42.2 14.5 18.1 19.0 322 416 B L H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 -1,-0.2 0.813 110.1 47.6 -59.3 -31.1 14.7 14.4 19.8 323 417 B N H ><5S+ 0 0 63 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.887 107.3 55.1 -73.4 -42.3 14.0 13.8 16.1 324 418 B R H 3<5S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.793 109.1 47.7 -58.6 -32.1 16.7 16.4 15.1 325 419 B F T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.352 116.9-122.7 -88.9 1.6 19.1 14.4 17.2 326 420 B K T X 5 + 0 0 62 -3,-1.6 3,-1.2 1,-0.2 -3,-0.2 0.773 47.6 168.7 64.9 33.1 17.8 11.3 15.4 327 421 B F T 3 < + 0 0 1 -5,-2.8 -1,-0.2 1,-0.2 16,-0.1 -0.496 66.5 31.3 -73.2 148.8 16.7 9.3 18.5 328 422 B G T 3 S+ 0 0 27 12,-0.3 -1,-0.2 33,-0.3 -5,-0.1 0.191 105.3 92.3 84.0 -15.9 14.6 6.3 17.7 329 423 B V S < S- 0 0 77 -3,-1.2 -1,-0.2 -6,-0.1 13,-0.1 -0.943 79.8-125.0-109.7 128.7 16.5 6.0 14.4 330 424 B P - 0 0 23 0, 0.0 10,-0.1 0, 0.0 -95,-0.0 -0.309 14.3-127.3 -66.3 155.9 19.7 3.7 14.4 331 425 B T - 0 0 4 8,-0.3 9,-0.1 -96,-0.1 -96,-0.0 0.877 24.1-156.7 -71.1 -36.7 23.0 5.3 13.2 332 426 B R + 0 0 56 3,-0.1 223,-0.2 1,-0.1 4,-0.1 0.935 29.0 162.8 56.3 49.3 23.5 2.5 10.7 333 427 B F - 0 0 6 2,-0.1 52,-0.3 222,-0.1 -1,-0.1 0.666 65.2 -78.3 -77.0 -17.6 27.2 3.3 10.8 334 428 B G S S+ 0 0 0 1,-0.5 2,-0.2 50,-0.1 222,-0.1 0.064 95.9 106.9 149.2 -33.7 28.2 -0.0 9.3 335 429 B L S S- 0 0 0 1,-0.1 -1,-0.5 -185,-0.0 3,-0.3 -0.540 71.3-108.9 -74.7 140.4 28.1 -2.9 11.7 336 430 B T S S+ 0 0 56 -191,-0.3 -191,-0.1 -2,-0.2 -1,-0.1 -0.308 89.7 24.9 -72.2 150.2 25.2 -5.4 11.2 337 431 B D S S- 0 0 94 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.900 74.2-179.6 68.8 48.5 22.2 -5.7 13.5 338 432 B E - 0 0 21 -3,-0.3 -102,-0.2 1,-0.1 -1,-0.2 -0.682 23.0-128.7 -85.6 128.8 22.1 -2.3 15.1 339 433 B Y - 0 0 81 -104,-2.1 -8,-0.3 -2,-0.4 24,-0.1 -0.155 9.7-148.8 -68.1 168.3 19.4 -1.6 17.6 340 434 B A - 0 0 34 1,-0.2 -12,-0.3 -10,-0.1 23,-0.1 0.500 19.4-143.2-123.2 -7.1 17.2 1.5 17.3 341 435 B G - 0 0 15 21,-0.2 2,-0.3 -14,-0.1 21,-0.2 -0.121 25.2 -98.1 61.7-169.0 16.2 2.7 20.7 342 436 B Q B -S 361 0J 139 19,-1.9 19,-2.3 -13,-0.1 -14,-0.1 -0.917 16.8-130.0-157.1 126.1 12.7 4.2 21.3 343 437 B L - 0 0 45 -2,-0.3 17,-0.1 17,-0.2 3,-0.1 -0.370 50.2 -83.3 -68.6 148.4 11.3 7.7 21.5 344 438 B P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.210 50.4-101.1 -59.0 143.1 9.0 8.4 24.5 345 439 B A - 0 0 55 14,-0.3 2,-2.3 1,-0.1 6,-0.2 -0.187 43.5 -95.2 -55.7 152.6 5.4 7.3 24.3 346 440 B D S S+ 0 0 149 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.394 89.5 104.2 -80.4 66.7 2.9 10.0 23.5 347 441 B N S > S- 0 0 57 -2,-2.3 4,-1.9 1,-0.0 3,-0.4 -0.982 79.0-117.7-136.2 147.7 1.8 10.9 27.1 348 442 B I H > S+ 0 0 87 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.715 108.9 60.8 -60.4 -23.4 3.0 13.9 29.1 349 443 B V H > S+ 0 0 16 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.968 109.5 38.5 -65.3 -53.4 4.7 11.8 31.7 350 444 B N H > S+ 0 0 43 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.847 115.5 51.2 -73.2 -35.4 7.2 10.2 29.4 351 445 B I H X S+ 0 0 2 -4,-1.9 4,-0.5 -6,-0.2 -1,-0.2 0.935 114.0 46.9 -62.6 -44.1 7.9 13.2 27.3 352 446 B A H >< S+ 0 0 0 -4,-1.7 3,-1.0 -5,-0.3 4,-0.2 0.919 112.9 49.0 -61.1 -45.0 8.5 15.1 30.5 353 447 B Q H ><>S+ 0 0 24 -4,-2.7 3,-2.5 1,-0.2 5,-1.4 0.857 96.9 67.9 -65.9 -37.2 10.8 12.3 31.8 354 448 B S H ><5S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.710 83.6 76.9 -58.8 -19.0 12.8 12.1 28.6 355 449 B S T <<5S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.5 -106,-0.3 0.812 106.3 31.6 -57.5 -33.3 14.1 15.5 29.5 356 450 B F T < 5S- 0 0 12 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.135 127.7 -93.4-115.9 18.4 16.4 13.8 32.1 357 451 B G T < 5S+ 0 0 0 -3,-1.1 -115,-2.6 1,-0.3 2,-0.3 0.675 89.0 109.3 84.6 20.3 16.9 10.6 30.3 358 452 B Q < + 0 0 13 -5,-1.4 -1,-0.3 -117,-0.2 -2,-0.2 -0.885 68.7 35.5-116.7 158.2 14.2 8.3 31.6 359 453 B G S S+ 0 0 17 -2,-0.3 2,-0.3 1,-0.2 -14,-0.3 0.683 107.0 82.3 71.9 17.5 11.1 7.1 29.6 360 454 B I - 0 0 4 -3,-0.2 2,-0.4 -16,-0.1 -118,-0.2 -0.980 66.5-147.6-145.0 144.3 13.3 7.0 26.5 361 455 B S B +S 342 0J 22 -19,-2.3 -19,-1.9 -2,-0.3 2,-0.3 -0.902 19.5 175.7-116.9 149.8 15.7 4.3 25.3 362 456 B V B -P 239 0G 0 -123,-2.2 -123,-2.1 -2,-0.4 2,-0.3 -0.930 28.8-124.8-142.0 161.1 18.9 4.7 23.3 363 457 B T > - 0 0 0 -2,-0.3 4,-1.4 -125,-0.2 -128,-0.1 -0.736 34.1-117.9 -96.8 159.2 21.9 2.9 21.8 364 458 B Q H > S+ 0 0 3 -131,-0.5 4,-2.7 -130,-0.3 -129,-0.2 0.828 116.9 54.4 -67.7 -31.1 25.4 4.2 22.8 365 459 B T H > S+ 0 0 1 -131,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.885 104.0 55.5 -69.0 -38.3 26.1 5.1 19.2 366 460 B Q H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.881 111.7 43.7 -55.9 -41.0 22.9 7.2 19.2 367 461 B M H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.942 113.5 49.7 -69.9 -51.6 24.3 9.1 22.2 368 462 B I H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.914 111.5 50.3 -48.7 -50.3 27.8 9.4 20.7 369 463 B R H >X S+ 0 0 4 -4,-3.3 4,-1.1 1,-0.2 12,-0.6 0.969 112.8 45.2 -55.8 -55.5 26.2 10.6 17.5 370 464 B A H 3X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.4 0.884 109.5 57.6 -54.0 -41.4 24.2 13.2 19.4 371 465 B F H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.852 97.0 61.3 -58.6 -38.5 27.3 14.1 21.5 372 466 B T H S+ 0 0 0 -4,-1.1 5,-1.8 -3,-0.4 6,-0.4 0.860 110.4 46.2 -60.2 -37.6 26.8 17.8 17.6 374 468 B I H <5S+ 0 0 0 -4,-1.0 3,-0.3 -3,-0.4 -1,-0.2 0.863 118.2 42.1 -72.5 -37.5 27.3 19.2 21.0 375 469 B A H <5S+ 0 0 3 -4,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.719 114.1 54.7 -78.6 -22.6 31.1 19.0 20.7 376 470 B N T ><5S- 0 0 28 -4,-2.1 3,-2.5 3,-0.2 -1,-0.2 -0.530 121.7 -79.1-125.5 62.9 31.2 20.2 17.1 377 471 B D T 3 5S- 0 0 68 -2,-0.4 34,-0.2 -3,-0.3 -3,-0.2 0.794 91.3 -58.4 52.8 37.7 29.5 23.6 16.6 378 472 B G T 3 - 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